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Recent Developments in Sample Preparation and Analysis in Mass Spectrometry-Based Metabolomics

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A special issue of Metabolites (ISSN 2218-1989). This special issue belongs to the section "Metabolomic Profiling Technology".

Deadline for manuscript submissions: closed (31 December 2022) | Viewed by 4707

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Special Issue Editors

Dr. Artem D. Rogachev

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Guest Editor

1. N. N. Vorozhtsov Novosibirsk Institute of Organic Chemistry, Novosibirsk, Russia
2. Department of Medicinal Chemistry, Novosibirsk State University, Novosibirsk, Russia
Interests: liquid chromatography; mass spectrometry; bioanalysis; metabolomics; method development and validation; pharmacokinetics
Special Issues, Collections and Topics in MDPI journals

Dr. Illa Tea

E-Mail Website
Guest Editor

CNRS, CEISAM UMR CNRS 6230, University of Nantes, F-44000 Nantes, France
Interests: stable isotopes; metabolism; cancer biomarkers; isotopomics; analytical chemistry
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Currently, metabolomic studies of living organisms can shed light on intrinsic processes that provide clues to understanding possible mechanisms of pathology development and finding disease biomarkers. Based on metabolomic screening data, new statistical models are being created to improve diagnosis.

Metabolomics studies can be performed on different biomatrices such as whole blood, plasma, serum, urine, and tissue samples. As all these matrices have different biological properties, appropriate sample preparation protocols should be used to prepare them. There are also different approaches for screening metabolites by gas/liquid chromatography or capillary electrophoresis coupled to mass spectrometry.

In this Special Issue, we would like to collect the current advances in sample preparation and/or analysis for screening metabolites of different classes and different origins. Both scientific articles and reviews on these topics are welcome.

Dr. Artem D. Rogachev
Dr. Illa Tea
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Metabolites is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

metabolite profiling
sample preparation
sample analysis
liquid chromatography
gas chromatography
mass spectrometry

Published Papers (3 papers)

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Research

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19 pages, 3201 KiB

Open AccessArticle

A GC-MS Chemotaxonomic Study on Lipophilic Compounds in the Bark of S. aucuparia subsp. sibirica Trees from the Population Growing in Akademgorodok, Novosibirsk (Russia)

by Asya R. Vasilieva, Nikolay M. Slynko, Ljudmila E. Tatarova, Vadim M. Efimov, Leonid V. Kuibida, Sergey V. Asbaganov and Sergey E. Peltek

Metabolites 2023, 13(6), 768; https://doi.org/10.3390/metabo13060768 - 19 Jun 2023

Viewed by 954

Abstract

Determination of chemotypes and of their role in the polymorphism of populations is an important field in the research on secondary metabolites of plants. In the present study, by gas chromatography coupled with mass spectrometry, the composition of bark extracts from rowan S. aucuparia subsp. sibirica was determined for 16 trees growing within Akademgorodok of Novosibirsk, with bark samples collected both in winter and summer. Among 101 fully or partially identified metabolites, there are alkanes, alkenes, linear alcohols, fatty acids and their derivatives, phenols and their derivatives, prunasin and its parent and derivative compounds, polyprenes and their derivatives, cyclic diterpenes, and phytosterols. These compounds were grouped according to their biosynthesis pathways. Cluster analysis revealed two groups among the bark samples collected in winter and three groups among bark samples collected in summer. The key determinants of this clustering are the biosynthesis of metabolites via the cyanogenic pathway (especially potentially toxic prunasin) and their formation via the phytosterol pathway (especially potentially pharmacologically useful lupeol). It follows from the results that the presence of chemotypes having sharply different profiles of metabolites in a population from a small geographic area invalidates the practice of general sampling to obtain averaged data when a population is described. From the standpoint of possible industrial use or plant selection based on metabolomic data, it is possible to select specific sets of samples containing a minimal amount of potentially toxic compounds and the largest amount of potentially useful substances. Full article

(This article belongs to the Special Issue Recent Developments in Sample Preparation and Analysis in Mass Spectrometry-Based Metabolomics)

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16 pages, 875 KiB

Open AccessArticle

Stability of Metabolomic Content during Sample Preparation: Blood and Brain Tissues

by Maxim V. Fomenko, Lyudmila V. Yanshole and Yuri P. Tsentalovich

Metabolites 2022, 12(9), 811; https://doi.org/10.3390/metabo12090811 - 29 Aug 2022

Cited by 7 | Viewed by 1607

Abstract

Thermal and enzymatic reactions can significantly change the tissue metabolomic content during the sample preparation. In this work, we evaluated the stability of metabolites in human whole blood, serum, and rat brain, as well as in metabolomic extracts from these tissues. We measured the concentrations of 63 metabolites in brain and 52 metabolites in blood. We have shown that metabolites in the extracts from biological tissues are stable within 24 h at 4 °C. Serum and whole blood metabolomes are also rather stable, changes in metabolomic content of the whole blood homogenate become apparent only after 1–2 h of incubation at 4 °C, and become strong after 24 h. The most significant changes correspond to energy metabolites: the concentrations of ATP and ADP decrease fivefold, and the concentrations of NAD, NADH, and NADPH decrease below the detectable level. A statistically significant increase was observed for AMP, IMP, hypoxanthine, and nicotinamide. The brain tissue is much more metabolically active than human blood, and significant metabolomic changes occur already within the first several minutes during the brain harvest and sample homogenization. At a longer timescale (hours), noticeable changes were observed for all classes of compounds, including amino acids, organic acids, alcohols, amines, sugars, nitrogenous bases, nucleotides, and nucleosides. Full article

(This article belongs to the Special Issue Recent Developments in Sample Preparation and Analysis in Mass Spectrometry-Based Metabolomics)

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9 pages, 935 KiB

Open AccessTechnical Note

Some Lessons Learned on the Impact of the Storage Conditions, Syringe Wash Solvent, and the Way of GC-MS Injection on the Reproducibility of Metabolomic Studies

by Ilya Kurbatov, Olga Kiseleva, Viktoriia Arzumanian, Georgii Dolgalev and Ekaterina Poverennaya

Metabolites 2023, 13(1), 75; https://doi.org/10.3390/metabo13010075 - 03 Jan 2023

Cited by 2 | Viewed by 1506

Abstract

Metabolomics based on two-dimensional gas chromatography coupled with mass spectrometry is making high demands on accuracy at all stages of sample preparation, up to the storage and injection into the analytical system. In high sample flow conditions, good repeatability in peak areas and a list of detectable metabolites is sometimes challenging to obtain. In this research, we successfully obtained good repeatability for the peak areas of MSFTA-derivatives of 29 core blood plasma metabolites. Six different strategies of storage and injection were investigated and evaluated for the reproducibility of the obtained data. As the essential factors, we considered popular GC-MS syringe washing solvents (methanol and pyridine); storage conditions (freshly prepared samples and stored for 24 h in ambient temperature or in the refrigerator); scheme of injection (one injection per intact vial or three sequential injections per vial). Our GC×GC-MS results demonstrated that the usage of pyridine as a syringe wash solvent and triple injecting the sample from the same vial was the most appropriate for minimizing the coefficient of variation (CV) of the results obtained (in general, <10%). The prolonged storage of samples does not have a noticeable effect on the change in the areas of chromatographic peaks of metabolites, although it reduces CV in some cases. These storage and injection recommendations can be used in future study protocols for the GC×GC-MS analysis of blood plasma. Full article

(This article belongs to the Special Issue Recent Developments in Sample Preparation and Analysis in Mass Spectrometry-Based Metabolomics)

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